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Isopropyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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Isopropyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 6geXfpRpYIN
InChI InChI=1S/C24H31NO5/c1-6-12-29-19-11-10-16(13-20(19)28-5)22-21(24(27)30-14(2)3)15(4)25-17-8-7-9-18(26)23(17)22/h10-11,13-14,22,25H,6-9,12H2,1-5H3
InChIKey LBGSUEVJJKMYDJ-UHFFFAOYSA-N
Mol Weight 413.51 g/mol
Molecular Formula C24H31NO5
Exact Mass 413.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JsJ4gIRASY
Name Isopropyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.220223097 u
Formula C24H31NO5
InChI InChI=1S/C24H31NO5/c1-6-12-29-19-11-10-16(13-20(19)28-5)22-21(24(27)30-14(2)3)15(4)25-17-8-7-9-18(26)23(17)22/h10-11,13-14,22,25H,6-9,12H2,1-5H3
InChIKey LBGSUEVJJKMYDJ-UHFFFAOYSA-N
Molecular Weight 413.514 g/mol
SMILES N1C(=C(C(C=2C(CCCC12)=O)C1=CC(OC)=C(C=C1)OCCC)C(OC(C)C)=O)C